CID 64102

23905-32-0

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3
InChI
InChI=1S/C19H23N3O/c1-2-9-18-20-17-11-4-3-10-16(17)19(23)22(18)15-8-7-14-21-12-5-6-13-21/h3-4,10-11H,2,5-6,9,12-15H2,1H3
InChIKey
IVQFLBVMKIYNAO-UHFFFAOYSA-N
Compound name
2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 173.5
[M+Na]+ 332.17332 182.8
[M-H]- 308.17682 173.2
[M+NH4]+ 327.21792 184.9
[M+K]+ 348.14726 173.8
[M+H-H2O]+ 292.18136 156.9
[M+HCOO]- 354.18230 184.5
[M+CH3COO]- 368.19795 181.1
[M+Na-2H]- 330.15877 173.5
[M]+ 309.18355 167.4
[M]- 309.18465 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.